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N-[3-[3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]-3,4,5,6-tetrachlorophthalimide
SpectraBase Compound ID 1P9nPqYVhqJ
InChI InChI=1S/C31H29Cl4N3O5/c1-31(2,3)43-30(41)37-11-9-20(37)16-42-21-13-19(14-36-15-21)18-8-4-6-17(12-18)7-5-10-38-28(39)22-23(29(38)40)25(33)27(35)26(34)24(22)32/h4,6,8,12-15,20H,5,7,9-11,16H2,1-3H3/t20-/m0/s1
InChIKey OEZSRMUDZHZYAI-FQEVSTJZSA-N
Mol Weight 665.4 g/mol
Molecular Formula C31H29Cl4N3O5
Exact Mass 663.086132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jxp8UGFeYi9
Name N-[3-[3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]-3,4,5,6-tetrachlorophthalimide
Appearance Colorless film
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29Cl4N3O5
InChI InChI=1S/C31H29Cl4N3O5/c1-31(2,3)43-30(41)37-11-9-20(37)16-42-21-13-19(14-36-15-21)18-8-4-6-17(12-18)7-5-10-38-28(39)22-23(29(38)40)25(33)27(35)26(34)24(22)32/h4,6,8,12-15,20H,5,7,9-11,16H2,1-3H3/t20-/m0/s1
InChIKey OEZSRMUDZHZYAI-FQEVSTJZSA-N
Ionization Type EI
Molecular Weight 665.401 g/mol
SMILES c1(OC[C@@]2(CCN2C(OC(C)(C)C)=O)[H])cc(-c2cccc(CCCN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)cnc1
SPLASH splash10-0a4i-9100000000-aaeaabaad8db64a7d158
Source of Spectrum US20100152450A1
Wiley ID 1842407